3-methyl-5-[(3,4,5-trimethoxyphenyl)methylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: 3-methyl-5-[(3,4,5-trimethoxyphenyl)methylamino]-1-benzothiophene-2-carboxylate Openeye Name: 3-methyl-5-[(3,4,5-trimethoxyphenyl)methylamino]benzothiophene-2-carboxylate CAS Name: 3-methyl-5-[(3,4,5-trimethoxyphenyl)methylamino]-1-benzothiophene-2-carboxylate IUPAC Name: 3-methyl-5-[(3,4,5-trimethoxyphenyl)methylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-methyl-5-[(3,4,5-trimethoxybenzyl)amino]benzothiophene-2-carboxylate Formula: C20H20NO5S- MolecularWeight: 386.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)NCC3=CC(=C(C(=C3)OC)OC)OC)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)NCC3=CC(=C(C(=C3)OC)OC)OC)C(=O)[O-]

InChI

InChI=1S/C20H21NO5S/c1-11-14-9-13(5-6-17(14)27-19(11)20(22)23)21-10-12-7-15(24-2)18(26-4)16(8-12)25-3/h5-9,21H,10H2,1-4H3,(H,22,23)/p-1